[(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate bromide

Systemtic Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-pent-4-enoate bromide Openeye Name: [(3R)-1-allylquinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)pent-4-enoate bromide CAS Name: 2-hydroxy-2-thiophen-2-yl-4-pentenoic acid [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester bromide IUPAC Name: [(3R)-1-prop-2-enyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-thiophen-2-ylpent-4-enoate bromide Traditional Name: 2-hydroxy-2-(2-thienyl)pent-4-enoic acid [(3R)-1-allylquinuclidin-1-ium-3-yl] ester bromide Formula: C19H26BrNO3S MolecularWeight: 428.38364

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CC=C)O.[Br-]

Isomeric SMILES

C=CCC(C1=CC=CS1)(C(=O)O[C@H]2C[N+]3(CCC2CC3)CC=C)O.[Br-]

InChI

InChI=1S/C19H26NO3S.BrH/c1-3-9-19(22,17-6-5-13-24-17)18(21)23-16-14-20(10-4-2)11-7-15(16)8-12-20;/h3-6,13,15-16,22H,1-2,7-12,14H2;1H/q+1;/p-1/t15?,16-,19?,20?;/m0./s1